SCHEMBL69252

SCHEMBL69252

CC1(C)c2ccc(Br)cc2-c2ncc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.37
CHEK2 O96017 1/20 0.34
ROS1 P08922 1/20 0.34
MARK3 P27448 1/20 0.34
LTK P29376 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
AURKB Q96GD4 1/20 0.34
PBK Q96KB5 1/20 0.34
STK17A Q9UEE5 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.33
BACE1 P56817 3/20 0.32
TYMS P04818 1/20 0.31
GPR35 Q9HC97 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.30
CTSD P07339 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15674426 0.88 BACE1 (0.33) PDE4BCHEK2ROS1MARK3LTK
SCHEMBL71083 0.82 SMN1; SMN2 (0.37) LTKKDRAURKBALDH1A1SMN1; SMN2
SCHEMBL21398145 0.81 GABRG2 (0.40) PDE4BCHEK2ROS1MARK3LTK
SCHEMBL70585 0.79 PDK2 (0.39) PDE4BFLT4IDO1MEN1MAPT
SCHEMBL15705967 0.78 PLK4 (0.33) ROS1MARK3FLT4KDRMINK1
SCHEMBL17427089 0.78 PDK2 (0.36) KMT2A
SCHEMBL805016 0.78 S100A4 (0.41) PDE4BIDO1ALDH1A1GPR35MEN1
SCHEMBL30567840 0.78 S100A4 (0.41) PDE4BIDO1ALDH1A1GPR35MEN1
SCHEMBL431223 0.73 PDK2 (0.33) SMN1; SMN2HTTKMT2A
SCHEMBL69285 0.72 MEN1 (0.32) PDE4BIDO1GPR35MEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-8110685-B2 Efficient, durable electron transport layers; low driving voltage; simple, low cost production CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2008-06-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE AZI2, CYP1A2, CYP2C19 PDE4B 3482/4885CHEK2 1771/4885ROS1 695/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.